#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujx s SER 2 N 0.00 -0.80 0.49 1.61 0.01 -1.26 -5.12 113.70 108.63 1ujx s SER 2 Ca 0.00 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.57 1ujx s SER 2 Cb 0.00 1.29 0.00 0.00 0.21 0.00 0.00 66.02 67.52 1ujx s SER 2 CO 0.00 -0.22 0.00 -0.24 0.41 0.00 0.00 173.24 173.19 1ujx n SER 3 N 4.47 -7.52 0.00 2.44 2.88 -1.26 -4.98 113.62 109.65 1ujx n SER 3 Ca -0.20 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1ujx n SER 3 Cb 0.56 -4.19 0.00 0.00 -0.75 0.00 0.00 64.21 59.84 1ujx n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujx n GLY 4 N -1.66 -0.60 2.05 0.46 0.00 -1.26 -5.08 105.19 99.11 1ujx n GLY 4 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1ujx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujx n SER 5 N 0.00 -3.53 -3.83 1.61 2.88 -1.26 -5.15 113.62 104.34 1ujx n SER 5 Ca 0.00 0.79 -0.10 0.00 -1.33 0.00 0.00 58.87 58.23 1ujx n SER 5 Cb 0.00 3.35 -0.07 0.00 -0.75 0.00 0.00 64.21 66.74 1ujx n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ujx s SER 6 N -2.00 0.06 0.00 -3.46 1.04 -1.26 -5.02 113.70 103.06 1ujx s SER 6 Ca 0.00 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1ujx s SER 6 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1ujx s SER 6 CO 0.00 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.15 1ujx n GLY 7 N 0.20 -0.10 3.03 7.32 0.00 -1.26 -5.12 105.19 109.27 1ujx n GLY 7 Ca -0.16 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 1ujx n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ujx s MET 8 N -2.16 0.20 -0.29 1.61 1.75 -1.26 -5.13 119.30 114.02 1ujx s MET 8 Ca 0.00 0.13 -0.24 0.00 -1.25 0.00 0.00 55.69 54.32 1ujx s MET 8 Cb 0.00 0.09 0.18 0.00 2.84 0.00 0.00 34.83 37.94 1ujx s MET 8 CO 0.00 -0.03 1.34 -1.54 -0.65 0.00 0.00 175.02 174.14 1ujx s SER 9 N -0.10 -0.15 -0.34 1.11 1.04 -1.26 -5.13 113.70 108.88 1ujx s SER 9 Ca -0.02 0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.71 1ujx s SER 9 Cb -0.02 0.34 0.10 0.00 0.10 0.00 0.00 66.02 66.54 1ujx s SER 9 CO 0.00 -0.05 0.08 -1.58 0.98 0.00 0.00 173.24 172.68 1ujx s GLN 10 N 0.15 1.16 -0.06 4.02 2.00 -1.26 -4.99 119.66 120.68 1ujx s GLN 10 Ca 0.05 -1.56 -0.00 0.00 -2.00 0.00 0.00 55.36 51.85 1ujx s GLN 10 Cb -0.05 -2.65 -0.00 0.00 0.80 0.00 0.00 33.01 31.11 1ujx s GLN 10 CO -0.13 -0.97 0.00 -0.07 -0.50 0.00 0.00 175.29 173.61 1ujx h LEU 11 N 7.74 -0.00 0.00 3.68 3.38 -2.07 -3.51 115.31 124.53 1ujx h LEU 11 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ujx h LEU 11 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1ujx h LEU 11 CO 0.50 0.28 0.00 0.61 0.09 0.00 0.00 178.44 179.93 1ujx n GLY 12 N 1.87 2.87 0.11 0.83 0.00 -1.26 -5.05 105.19 104.55 1ujx n GLY 12 Ca -0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 1ujx n GLY 12 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujx n SER 13 N 0.00 2.05 -0.84 1.61 2.88 -1.26 -5.10 113.62 112.96 1ujx n SER 13 Ca 0.00 -0.11 0.11 0.00 -1.33 0.00 0.00 58.87 57.53 1ujx n SER 13 Cb 0.00 -0.25 -0.03 0.00 -0.75 0.00 0.00 64.21 63.18 1ujx n SER 13 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ujx n ARG 14 N -3.14 -1.63 -1.63 -1.46 1.74 -1.26 -4.81 116.66 104.48 1ujx n ARG 14 Ca -0.40 1.10 -0.29 0.00 -0.77 0.00 0.00 57.85 57.49 1ujx n ARG 14 Cb 0.95 -2.02 0.12 0.00 -1.02 0.00 0.00 32.46 30.49 1ujx n ARG 14 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ujx s GLY 15 N -4.56 1.58 -0.05 -0.13 0.00 -1.26 -4.99 107.32 97.91 1ujx s GLY 15 Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 44.72 44.16 1ujx s GLY 15 CO 0.00 -0.01 0.10 0.50 0.00 0.00 0.00 173.10 173.69 1ujx s ARG 16 N -5.35 0.03 0.38 2.90 1.81 -1.26 -4.92 118.95 112.55 1ujx s ARG 16 Ca 0.63 0.31 -0.23 0.00 -1.72 0.00 0.00 55.73 54.72 1ujx s ARG 16 Cb -0.14 -0.22 -0.10 0.00 -0.45 0.00 0.00 34.95 34.04 1ujx s ARG 16 CO 0.52 -0.18 0.93 -0.51 -0.68 0.00 0.00 175.30 175.39 1ujx s LEU 17 N 1.21 4.11 -0.03 2.53 1.43 -1.26 -1.21 118.68 125.45 1ujx s LEU 17 Ca -0.08 1.72 -0.29 0.00 -1.03 0.00 0.00 54.13 54.45 1ujx s LEU 17 Cb -0.12 -4.30 0.10 0.00 0.03 0.00 0.00 46.19 41.90 1ujx s LEU 17 CO -0.05 -0.23 0.87 -1.66 0.23 0.00 0.00 176.35 175.51 1ujx s TRP 18 N -1.94 -0.39 0.08 0.29 1.48 -1.08 -2.30 118.94 115.07 1ujx s TRP 18 Ca 0.57 0.39 -0.10 0.00 -1.06 0.00 0.00 56.10 55.89 1ujx s TRP 18 Cb -0.13 0.51 -0.06 0.00 -1.16 0.00 0.00 33.47 32.63 1ujx s TRP 18 CO 0.17 -0.53 0.41 -0.51 -4.06 0.00 0.00 176.95 172.43 1ujx s LEU 19 N -2.10 4.35 -0.62 -4.66 2.01 -1.10 -0.22 118.68 116.34 1ujx s LEU 19 Ca 0.02 0.81 -0.07 0.00 0.01 0.00 0.00 54.13 54.90 1ujx s LEU 19 Cb -0.01 -2.97 0.16 0.00 0.01 0.00 0.00 46.19 43.38 1ujx s LEU 19 CO -0.06 0.18 0.48 -1.58 1.01 0.00 0.00 176.35 176.38 1ujx s GLN 20 N -1.87 2.75 0.52 1.70 0.74 0.11 -3.94 119.66 119.67 1ujx s GLN 20 Ca 0.33 -2.30 -0.21 0.00 0.05 0.00 0.00 55.36 53.22 1ujx s GLN 20 Cb -0.14 -3.93 -0.06 0.00 1.10 0.00 0.00 33.01 29.98 1ujx s GLN 20 CO 0.18 -1.20 1.17 -1.12 -0.55 0.00 0.00 175.29 173.77 1ujx s SER 21 N 1.54 5.79 0.69 6.67 0.01 -1.26 -3.95 113.70 123.19 1ujx s SER 21 Ca 0.14 2.30 -0.11 0.00 1.31 0.00 0.00 55.95 59.59 1ujx s SER 21 Cb -0.19 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1ujx s SER 21 CO -0.04 -1.18 1.06 -2.16 0.41 0.00 0.00 173.24 171.33 1ujx s PRO 22 N -3.04 2.98 0.68 12.44 0.04 -1.26 -4.95 135.00 141.89 1ujx s PRO 22 Ca 0.70 0.97 -0.18 0.00 0.04 0.00 0.00 61.00 62.53 1ujx s PRO 22 Cb -0.28 -1.99 -0.15 0.00 0.04 0.00 0.00 34.50 32.12 1ujx s PRO 22 CO 0.32 -1.07 -0.35 2.41 0.04 0.00 0.00 177.00 178.35 1ujx n THR 23 N -3.05 0.04 -3.25 1.26 -1.04 -1.26 -3.23 114.28 103.75 1ujx n THR 23 Ca 0.08 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.05 61.44 1ujx n THR 23 Cb 0.53 -0.02 0.08 0.00 -1.82 0.00 0.00 70.33 69.11 1ujx n THR 23 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ujx n GLY 24 N 2.84 -0.61 0.91 3.41 0.00 -1.26 -5.01 105.19 105.47 1ujx n GLY 24 Ca 0.04 0.26 -0.03 0.00 0.00 0.00 0.00 46.02 46.30 1ujx n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ujx n GLY 25 N -1.17 2.19 3.78 -0.02 0.00 -1.20 -5.15 105.19 103.61 1ujx n GLY 25 Ca -0.18 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 1ujx n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujx s PRO 26 N -2.09 0.50 0.99 1.61 0.04 -1.26 -5.06 135.00 129.73 1ujx s PRO 26 Ca 0.05 0.04 -0.15 0.00 0.04 0.00 0.00 61.00 60.99 1ujx s PRO 26 Cb -0.01 -1.79 0.19 0.00 0.04 0.00 0.00 34.50 32.93 1ujx s PRO 26 CO 0.04 -2.58 1.18 -1.25 0.04 0.00 0.00 177.00 174.42 1ujx s PRO 27 N -5.45 0.49 -0.20 0.56 0.04 -1.26 -4.70 135.00 124.47 1ujx s PRO 27 Ca 0.68 0.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.47 1ujx s PRO 27 Cb -0.11 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 1ujx s PRO 27 CO 0.54 -2.59 1.29 -1.25 0.04 0.00 0.00 177.00 175.03 1ujx s PRO 28 N -5.46 4.12 0.14 0.56 0.04 -1.26 -4.82 135.00 128.32 1ujx s PRO 28 Ca 0.68 1.55 -0.23 0.00 0.04 0.00 0.00 61.00 63.04 1ujx s PRO 28 Cb -0.11 -3.81 -0.08 0.00 0.04 0.00 0.00 34.50 30.54 1ujx s PRO 28 CO 0.54 -0.85 0.70 0.42 0.04 0.00 0.00 177.00 177.84 1ujx s ILE 29 N 3.83 4.51 -0.41 0.56 1.09 -1.25 -4.91 121.20 124.62 1ujx s ILE 29 Ca 0.56 1.50 -0.11 0.00 -1.10 0.00 0.00 60.65 61.49 1ujx s ILE 29 Cb -0.21 -4.03 0.05 0.00 -1.06 0.00 0.00 42.46 37.22 1ujx s ILE 29 CO 0.18 0.51 0.26 -0.36 -0.10 0.00 0.00 174.94 175.43 1ujx s PHE 30 N -1.17 3.28 0.97 3.97 0.40 -1.26 -2.70 117.98 121.48 1ujx s PHE 30 Ca 0.34 -1.16 -0.11 0.00 -0.60 0.00 0.00 56.93 55.40 1ujx s PHE 30 Cb -0.21 -2.77 0.18 0.00 0.51 0.00 0.00 43.02 40.72 1ujx s PHE 30 CO 0.23 -0.75 1.09 -0.51 0.70 0.00 0.00 175.22 175.99 1ujx s LEU 31 N 1.53 2.11 0.54 -0.37 1.43 -0.97 -4.98 118.68 117.96 1ujx s LEU 31 Ca 0.03 1.79 -0.18 0.00 -1.03 0.00 0.00 54.13 54.74 1ujx s LEU 31 Cb -0.22 -4.06 -0.06 0.00 0.03 0.00 0.00 46.19 41.88 1ujx s LEU 31 CO 0.05 -3.25 1.04 -2.16 0.23 0.00 0.00 176.35 172.26 1ujx s PRO 32 N -4.68 3.59 -0.14 1.29 0.04 -1.26 -4.72 135.00 129.12 1ujx s PRO 32 Ca 0.66 1.26 0.17 0.00 0.04 0.00 0.00 61.00 63.13 1ujx s PRO 32 Cb -0.22 -2.07 -0.24 0.00 0.04 0.00 0.00 34.50 32.01 1ujx s PRO 32 CO 0.60 -0.59 0.16 0.43 0.04 0.00 0.00 177.00 177.64 1ujx n SER 33 N -1.50 0.54 -0.31 6.66 7.64 -1.26 -3.97 113.62 121.42 1ujx n SER 33 Ca 0.09 0.00 0.20 0.00 1.01 0.00 0.00 58.87 60.17 1ujx n SER 33 Cb 0.53 1.20 0.47 0.00 -1.01 0.00 0.00 64.21 65.40 1ujx n SER 33 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1ujx h ASP 34 N 0.00 0.51 0.00 6.43 3.58 -1.94 -3.45 116.42 121.56 1ujx h ASP 34 Ca -0.36 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1ujx h ASP 34 Cb 1.78 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.83 1ujx h ASP 34 CO 0.02 0.14 0.00 0.61 -2.88 0.00 0.00 179.24 177.13 1ujx n GLY 35 N -1.45 0.64 2.97 -0.78 0.00 -1.26 -5.13 105.19 100.18 1ujx n GLY 35 Ca 0.24 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 1ujx n GLY 35 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ujx n GLN 36 N 0.00 -1.89 -4.09 1.61 6.02 -1.26 -4.76 117.38 113.01 1ujx n GLN 36 Ca 0.00 -0.82 -0.26 0.00 -0.01 0.00 0.00 57.00 55.92 1ujx n GLN 36 Cb 0.00 -1.50 -0.17 0.00 1.02 0.00 0.00 30.24 29.59 1ujx n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ujx s ALA 37 N -2.06 1.23 -0.49 -1.58 0.00 -1.26 -4.14 121.76 113.45 1ujx s ALA 37 Ca 0.38 -0.45 -0.20 0.00 0.00 0.00 0.00 51.96 51.68 1ujx s ALA 37 Cb -0.07 -0.78 0.05 0.00 0.00 0.00 0.00 23.12 22.32 1ujx s ALA 37 CO 0.32 -0.25 0.66 -1.17 0.00 0.00 0.00 175.76 175.31 1ujx s LEU 38 N 1.39 4.75 -0.08 0.00 2.96 0.20 -4.85 118.68 123.06 1ujx s LEU 38 Ca -0.01 -0.70 -0.30 0.00 -0.22 0.00 0.00 54.13 52.90 1ujx s LEU 38 Cb -0.13 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 1ujx s LEU 38 CO -0.04 -0.89 1.45 -0.69 -1.32 0.00 0.00 176.35 174.86 1ujx s VAL 39 N 2.80 3.86 0.56 1.68 1.01 -1.26 -2.37 120.40 126.68 1ujx s VAL 39 Ca 0.18 1.11 0.04 0.00 0.00 0.00 0.00 61.98 63.31 1ujx s VAL 39 Cb -0.17 -3.71 0.06 0.00 0.00 0.00 0.00 36.38 32.56 1ujx s VAL 39 CO 0.14 -0.07 0.78 -0.76 0.00 0.00 0.00 175.10 175.19 1ujx s LEU 40 N 3.41 3.27 0.00 3.92 1.02 -0.96 -4.93 118.68 124.41 1ujx s LEU 40 Ca 0.64 -0.37 0.00 0.00 0.02 0.00 0.00 54.13 54.42 1ujx s LEU 40 Cb -0.29 -2.35 0.00 0.00 0.02 0.00 0.00 46.19 43.57 1ujx s LEU 40 CO 0.23 -1.25 0.00 0.61 0.02 0.00 0.00 176.35 175.96 1ujx n GLY 41 N -2.31 0.96 3.43 -3.19 0.00 -1.25 -2.36 105.19 100.47 1ujx n GLY 41 Ca 0.11 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 1ujx n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujx n ARG 42 N 0.00 0.45 0.00 1.61 1.74 -1.25 -4.42 116.66 114.80 1ujx n ARG 42 Ca 0.00 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1ujx n ARG 42 Cb 0.00 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 1ujx n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ujx n GLY 43 N 1.90 1.29 0.00 -0.13 0.00 -0.90 -4.71 105.19 102.64 1ujx n GLY 43 Ca 0.11 -2.07 0.11 0.00 0.00 0.00 0.00 46.02 44.16 1ujx n GLY 43 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ujx n PRO 44 N -1.59 0.11 0.43 1.61 -0.04 -1.26 -0.85 135.00 133.41 1ujx n PRO 44 Ca 0.00 0.11 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 1ujx n PRO 44 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 1ujx n PRO 44 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ujx h LEU 45 N 0.00 -1.27 -1.18 1.53 4.07 -1.87 -3.25 115.31 113.33 1ujx h LEU 45 Ca 0.00 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1ujx h LEU 45 Cb 0.32 0.38 0.00 0.00 1.08 0.00 0.00 40.66 42.43 1ujx h LEU 45 CO 0.00 -0.76 -0.17 0.35 -1.08 0.00 0.00 178.44 176.78 1ujx n THR 46 N -5.63 0.00 -2.20 0.22 -2.24 -1.23 -4.77 114.28 98.42 1ujx n THR 46 Ca -0.15 -0.41 -0.15 0.00 -2.27 0.00 0.00 64.05 61.07 1ujx n THR 46 Cb 0.51 1.24 -0.01 0.00 -2.10 0.00 0.00 70.33 69.96 1ujx n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ujx n GLN 47 N 0.30 -1.17 -3.30 -0.78 1.13 -0.03 -4.62 117.38 108.92 1ujx n GLN 47 Ca 0.07 0.75 -0.38 0.00 -1.94 0.00 0.00 57.00 55.50 1ujx n GLN 47 Cb 0.35 -5.05 -0.06 0.00 0.11 0.00 0.00 30.24 25.58 1ujx n GLN 47 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1ujx s VAL 48 N -2.72 5.06 -0.01 5.09 1.01 -1.05 -4.93 120.40 122.85 1ujx s VAL 48 Ca 0.00 1.05 0.01 0.00 0.00 0.00 0.00 61.98 63.03 1ujx s VAL 48 Cb 0.00 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1ujx s VAL 48 CO 0.00 0.40 -0.00 0.35 0.00 0.00 0.00 175.10 175.85 1ujx n THR 49 N 3.04 0.06 -1.58 3.92 -2.24 -1.26 -2.11 114.28 114.11 1ujx n THR 49 Ca -0.08 -0.03 -0.62 0.00 -2.27 0.00 0.00 64.05 61.05 1ujx n THR 49 Cb 0.51 -0.83 -0.09 0.00 -2.10 0.00 0.00 70.33 67.82 1ujx n THR 49 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ujx n ASP 50 N -2.19 0.73 0.30 3.42 -0.08 -1.26 -4.73 116.55 112.74 1ujx n ASP 50 Ca -0.02 1.12 0.19 0.00 -1.51 0.00 0.00 54.79 54.57 1ujx n ASP 50 Cb 0.53 -0.85 1.00 0.00 2.34 0.00 0.00 41.12 44.13 1ujx n ASP 50 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 1ujx h ARG 51 N 4.07 0.00 0.00 -0.67 0.11 -2.05 0.22 114.38 116.06 1ujx h ARG 51 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 1ujx h ARG 51 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 1ujx h ARG 51 CO 0.82 0.00 0.00 0.87 0.10 0.00 0.00 179.97 181.76 1ujx h LYS 52 N 0.00 0.00 -5.85 0.08 1.79 -2.02 -3.40 116.57 107.17 1ujx h LYS 52 Ca 0.02 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.86 1ujx h LYS 52 Cb 0.24 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.83 1ujx h LYS 52 CO -0.00 0.00 -0.35 0.00 -1.08 0.00 0.00 179.45 178.02 1ujx s SER 54 N -1.19 3.69 0.34 0.00 0.01 -1.26 -4.56 113.70 110.73 1ujx s SER 54 Ca 0.21 -0.31 0.18 0.00 1.31 0.00 0.00 55.95 57.35 1ujx s SER 54 Cb -0.14 -0.80 1.22 0.00 0.21 0.00 0.00 66.02 66.52 1ujx s SER 54 CO 0.10 0.31 1.49 -1.14 0.41 0.00 0.00 173.24 174.42 1ujx n ARG 55 N 2.52 -0.06 -2.81 12.44 0.63 -1.26 0.59 116.66 128.71 1ujx n ARG 55 Ca -0.17 1.32 -0.29 0.00 -0.92 0.00 0.00 57.85 57.79 1ujx n ARG 55 Cb 0.52 -2.34 -0.03 0.00 0.45 0.00 0.00 32.46 31.06 1ujx n ARG 55 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ujx n ASN 56 N -5.17 4.86 0.07 6.15 4.13 -1.24 -3.81 115.26 120.25 1ujx n ASN 56 Ca 0.35 -3.70 -0.13 0.00 1.68 0.00 0.00 54.58 52.78 1ujx n ASN 56 Cb 1.17 -0.61 -0.08 0.00 -1.54 0.00 0.00 39.78 38.73 1ujx n ASN 56 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 1ujx h GLN 57 N 3.02 -0.14 -4.24 3.52 5.75 0.54 -2.69 115.11 120.88 1ujx h GLN 57 Ca 0.21 0.01 -0.15 0.00 -0.15 0.00 0.00 58.65 58.57 1ujx h GLN 57 Cb 0.55 0.03 -0.14 0.00 1.07 0.00 0.00 27.48 28.98 1ujx h GLN 57 CO 0.87 0.05 -0.57 0.14 -2.65 0.00 0.00 178.83 176.67 1ujx s VAL 58 N -5.54 0.12 -0.32 2.39 -7.23 -1.26 -2.04 120.40 106.53 1ujx s VAL 58 Ca -0.14 -1.74 -0.01 0.00 -1.81 0.00 0.00 61.98 58.28 1ujx s VAL 58 Cb 0.04 -1.85 0.07 0.00 0.56 0.00 0.00 36.38 35.20 1ujx s VAL 58 CO 0.65 -0.55 0.03 -0.70 -0.31 0.00 0.00 175.10 174.22 1ujx s GLU 59 N -3.99 2.24 0.13 4.82 2.12 0.31 -2.26 118.70 122.07 1ujx s GLU 59 Ca 0.18 -1.44 -0.15 0.00 0.36 0.00 0.00 54.97 53.92 1ujx s GLU 59 Cb 0.07 -3.23 -0.07 0.00 0.26 0.00 0.00 34.13 31.15 1ujx s GLU 59 CO -0.02 -0.73 0.54 -0.51 -0.54 0.00 0.00 175.26 174.00 1ujx s LEU 60 N 1.18 4.37 -0.05 2.70 1.02 -1.00 -2.36 118.68 124.55 1ujx s LEU 60 Ca -0.01 1.09 -0.02 0.00 0.02 0.00 0.00 54.13 55.21 1ujx s LEU 60 Cb -0.20 -3.18 0.03 0.00 0.02 0.00 0.00 46.19 42.86 1ujx s LEU 60 CO -0.03 0.14 0.08 -0.63 0.02 0.00 0.00 176.35 175.93 1ujx s ILE 61 N -1.39 -0.13 -0.24 -0.59 1.01 -0.90 0.62 121.20 119.57 1ujx s ILE 61 Ca 0.36 0.39 -0.29 0.00 0.00 0.00 0.00 60.65 61.11 1ujx s ILE 61 Cb -0.16 -0.18 0.01 0.00 0.01 0.00 0.00 42.46 42.14 1ujx s ILE 61 CO 0.19 0.16 1.11 0.00 0.00 0.00 0.00 174.94 176.40 1ujx s ALA 62 N 2.07 3.62 -0.61 9.38 0.00 -1.25 -2.56 121.76 132.40 1ujx s ALA 62 Ca 0.03 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.19 1ujx s ALA 62 Cb -0.12 -3.61 0.15 0.00 0.00 0.00 0.00 23.12 19.54 1ujx s ALA 62 CO -0.04 -1.22 0.38 -0.51 0.00 0.00 0.00 175.76 174.37 1ujx s ASP 63 N 1.55 4.65 0.00 0.00 1.11 0.10 -4.52 116.67 119.57 1ujx s ASP 63 Ca 0.47 -3.31 0.23 0.00 0.18 0.00 0.00 52.55 50.12 1ujx s ASP 63 Cb -0.16 -1.67 1.39 0.00 1.07 0.00 0.00 42.92 43.55 1ujx s ASP 63 CO 0.11 -0.19 1.77 -0.81 1.18 0.00 0.00 175.17 177.22 1ujx n PRO 64 N 2.74 0.75 -0.06 8.23 -0.04 -1.26 -0.55 135.00 144.81 1ujx n PRO 64 Ca 0.11 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.47 1ujx n PRO 64 Cb 0.34 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.28 1ujx n PRO 64 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ujx h GLU 65 N 0.00 0.30 -0.09 0.54 4.39 -1.91 -3.32 114.58 114.49 1ujx h GLU 65 Ca 0.00 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.49 1ujx h GLU 65 Cb 0.00 -0.06 -0.36 0.00 -0.10 0.00 0.00 28.75 28.23 1ujx h GLU 65 CO 0.00 0.27 -1.00 0.43 -1.16 0.00 0.00 179.01 177.55 1ujx n SER 66 N -4.89 1.24 -3.47 1.42 7.64 -1.22 -5.02 113.62 109.33 1ujx n SER 66 Ca -0.03 -2.22 -0.16 0.00 1.01 0.00 0.00 58.87 57.47 1ujx n SER 66 Cb 0.07 -0.35 0.01 0.00 -1.01 0.00 0.00 64.21 62.93 1ujx n SER 66 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ujx n ARG 67 N 0.14 -1.39 -4.13 1.43 5.12 -0.96 -5.00 116.66 111.88 1ujx n ARG 67 Ca 0.08 0.98 -0.15 0.00 -1.93 0.00 0.00 57.85 56.83 1ujx n ARG 67 Cb 1.05 -4.15 -0.05 0.00 -1.16 0.00 0.00 32.46 28.14 1ujx n ARG 67 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1ujx s THR 68 N -3.11 0.00 -0.18 0.55 -4.23 0.29 -4.16 115.64 104.79 1ujx s THR 68 Ca 0.12 -1.69 -0.20 0.00 -1.18 0.00 0.00 61.69 58.74 1ujx s THR 68 Cb -0.04 -2.57 0.05 0.00 1.34 0.00 0.00 72.50 71.28 1ujx s THR 68 CO 0.83 0.00 0.56 -0.69 -0.54 0.00 0.00 174.62 174.77 1ujx s VAL 69 N -3.29 0.00 -0.02 2.29 1.01 -0.19 -0.72 120.40 119.49 1ujx s VAL 69 Ca 0.32 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1ujx s VAL 69 Cb 0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1ujx s VAL 69 CO 0.20 -0.02 0.10 0.00 0.00 0.00 0.00 175.10 175.39 1ujx s ALA 70 N 0.04 3.67 -0.15 5.51 0.00 -1.06 0.19 121.76 129.96 1ujx s ALA 70 Ca -0.02 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 1ujx s ALA 70 Cb -0.04 -1.67 0.04 0.00 0.00 0.00 0.00 23.12 21.46 1ujx s ALA 70 CO 0.02 0.69 -0.00 0.08 0.00 0.00 0.00 175.76 176.55 1ujx s VAL 71 N -1.19 0.68 -0.21 0.00 1.01 0.04 -2.11 120.40 118.63 1ujx s VAL 71 Ca 0.23 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 1ujx s VAL 71 Cb -0.12 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.29 1ujx s VAL 71 CO 0.14 0.03 -0.13 -0.75 0.00 0.00 0.00 175.10 174.39 1ujx s LYS 72 N 1.81 3.08 -0.36 2.72 2.20 -0.99 0.29 119.74 128.49 1ujx s LYS 72 Ca 0.01 -0.79 -0.29 0.00 -0.36 0.00 0.00 55.97 54.54 1ujx s LYS 72 Cb -0.15 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 1ujx s LYS 72 CO -0.07 -0.24 1.38 -1.14 -0.36 0.00 0.00 175.35 174.92 1ujx s GLN 73 N 1.35 3.72 0.00 4.03 0.74 -0.96 -0.53 119.66 128.01 1ujx s GLN 73 Ca 0.04 1.10 0.11 0.00 0.05 0.00 0.00 55.36 56.66 1ujx s GLN 73 Cb -0.14 -3.97 -0.02 0.00 1.10 0.00 0.00 33.01 29.98 1ujx s GLN 73 CO -0.08 -1.38 0.65 1.28 -0.55 0.00 0.00 175.29 175.21 1ujx n LEU 74 N 8.34 1.20 0.00 3.68 4.77 -1.01 -1.02 117.00 132.96 1ujx n LEU 74 Ca 0.16 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 1ujx n LEU 74 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1ujx n LEU 74 CO 0.67 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1ujx n GLY 75 N 0.97 1.35 1.22 -0.72 0.00 -0.86 -4.91 105.19 102.24 1ujx n GLY 75 Ca 0.04 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1ujx n GLY 75 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ujx n VAL 76 N 0.00 0.30 -1.66 1.61 3.14 -1.26 -4.81 118.33 115.65 1ujx n VAL 76 Ca 0.00 0.10 -0.44 0.00 -2.96 0.00 0.00 64.34 61.04 1ujx n VAL 76 Cb 0.00 -1.31 -0.02 0.00 -1.06 0.00 0.00 33.84 31.45 1ujx n VAL 76 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1ujx n ASN 77 N -3.08 2.43 -4.68 6.55 4.13 -1.26 -4.71 115.26 114.63 1ujx n ASN 77 Ca 0.00 1.17 -0.42 0.00 1.68 0.00 0.00 54.58 57.01 1ujx n ASN 77 Cb 0.27 -1.41 -0.03 0.00 -1.54 0.00 0.00 39.78 37.08 1ujx n ASN 77 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1ujx s PRO 78 N -1.06 4.33 0.32 3.52 0.04 -1.26 -4.92 135.00 135.97 1ujx s PRO 78 Ca 0.63 1.70 0.01 0.00 0.04 0.00 0.00 61.00 63.37 1ujx s PRO 78 Cb -0.65 -3.58 -0.03 0.00 0.04 0.00 0.00 34.50 30.28 1ujx s PRO 78 CO 0.56 -0.49 0.52 -1.12 0.04 0.00 0.00 177.00 176.51 1ujx s SER 79 N 1.57 6.31 -0.26 6.66 0.01 -1.26 -4.56 113.70 122.18 1ujx s SER 79 Ca 0.56 0.42 0.02 0.00 1.31 0.00 0.00 55.95 58.27 1ujx s SER 79 Cb -0.25 -2.02 0.07 0.00 0.21 0.00 0.00 66.02 64.03 1ujx s SER 79 CO 0.22 -0.24 -0.06 -0.89 0.41 0.00 0.00 173.24 172.67 1ujx s THR 80 N -2.23 1.91 -1.11 1.44 2.01 -1.22 0.14 115.64 116.58 1ujx s THR 80 Ca 0.39 -1.56 -0.16 0.00 0.31 0.00 0.00 61.69 60.68 1ujx s THR 80 Cb -0.10 -2.13 0.16 0.00 0.01 0.00 0.00 72.50 70.44 1ujx s THR 80 CO 0.34 -0.14 1.33 -0.69 -0.69 0.00 0.00 174.62 174.77 1ujx s VAL 81 N 1.20 4.91 0.00 3.82 1.01 -0.51 -1.85 120.40 128.98 1ujx s VAL 81 Ca -0.05 -2.26 0.00 0.00 0.00 0.00 0.00 61.98 59.67 1ujx s VAL 81 Cb -0.19 -4.87 0.00 0.00 0.00 0.00 0.00 36.38 31.32 1ujx s VAL 81 CO -0.06 -1.59 0.00 0.61 0.00 0.00 0.00 175.10 174.06 1ujx n GLY 82 N 4.61 1.08 0.22 4.51 0.00 0.67 -3.78 105.19 112.50 1ujx n GLY 82 Ca 0.32 -0.64 0.03 0.00 0.00 0.00 0.00 46.02 45.74 1ujx n GLY 82 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ujx n VAL 83 N 0.00 0.70 -4.87 1.61 3.14 -1.26 -4.77 118.33 112.89 1ujx n VAL 83 Ca 0.00 -0.82 -0.27 0.00 -2.96 0.00 0.00 64.34 60.29 1ujx n VAL 83 Cb 0.00 0.36 -0.16 0.00 -1.06 0.00 0.00 33.84 32.97 1ujx n VAL 83 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1ujx s GLN 84 N -1.01 2.09 0.37 1.45 0.74 -1.25 -5.12 119.66 116.94 1ujx s GLN 84 Ca 0.10 -0.62 -0.25 0.00 0.05 0.00 0.00 55.36 54.63 1ujx s GLN 84 Cb 0.09 -1.71 -0.09 0.00 1.10 0.00 0.00 33.01 32.39 1ujx s GLN 84 CO 0.01 0.17 1.04 -2.00 -0.55 0.00 0.00 175.29 173.95 1ujx s GLU 85 N 0.30 4.28 0.15 1.67 2.12 -1.26 -1.42 118.70 124.54 1ujx s GLU 85 Ca -0.11 1.52 0.02 0.00 0.36 0.00 0.00 54.97 56.76 1ujx s GLU 85 Cb -0.15 -2.65 0.02 0.00 0.26 0.00 0.00 34.13 31.61 1ujx s GLU 85 CO 0.04 -0.04 0.17 1.28 -0.54 0.00 0.00 175.26 176.18 1ujx n LEU 86 N 0.17 0.00 -4.14 2.70 4.77 0.38 -4.89 117.00 115.99 1ujx n LEU 86 Ca 0.04 -0.69 -0.12 0.00 -0.03 0.00 0.00 56.01 55.21 1ujx n LEU 86 Cb 0.49 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1ujx n LEU 86 CO 0.46 -0.47 -0.07 -0.54 -1.33 0.00 0.00 177.39 175.44 1ujx s LYS 87 N -2.65 1.42 -0.30 3.23 1.02 -1.26 -4.50 119.74 116.70 1ujx s LYS 87 Ca 0.13 -1.57 -0.29 0.00 0.02 0.00 0.00 55.97 54.26 1ujx s LYS 87 Cb -0.01 0.35 -0.00 0.00 -0.52 0.00 0.00 37.83 37.65 1ujx s LYS 87 CO 0.08 -0.53 1.35 -1.25 -0.92 0.00 0.00 175.35 174.09 1ujx s PRO 88 N -3.94 3.86 0.00 -1.68 0.04 -1.26 -2.24 135.00 129.78 1ujx s PRO 88 Ca 0.34 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1ujx s PRO 88 Cb 0.04 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.66 1ujx s PRO 88 CO 0.13 -1.20 0.00 0.41 0.04 0.00 0.00 177.00 176.39 1ujx n GLY 89 N 4.45 0.67 3.87 0.56 0.00 -0.19 -5.06 105.19 109.49 1ujx n GLY 89 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1ujx n GLY 89 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ujx n LEU 90 N 0.00 0.00 -3.64 0.99 7.94 -0.95 -4.87 117.00 116.47 1ujx n LEU 90 Ca 0.00 -1.67 -0.09 0.00 -1.11 0.00 0.00 56.01 53.14 1ujx n LEU 90 Cb 0.00 -0.90 -0.07 0.00 0.53 0.00 0.00 43.42 42.98 1ujx n LEU 90 CO 0.00 -1.30 0.36 -0.44 -1.11 0.00 0.00 177.39 174.90 1ujx s SER 91 N -5.61 -0.89 0.00 1.96 0.01 -1.26 -2.27 113.70 105.64 1ujx s SER 91 Ca 0.72 1.49 0.00 0.00 1.31 0.00 0.00 55.95 59.47 1ujx s SER 91 Cb -0.03 1.40 0.00 0.00 0.21 0.00 0.00 66.02 67.60 1ujx s SER 91 CO 0.50 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.52 1ujx n GLY 92 N 3.91 4.25 3.14 3.44 0.00 0.14 -4.95 105.19 115.13 1ujx n GLY 92 Ca -0.19 -1.90 -0.15 0.00 0.00 0.00 0.00 46.02 43.78 1ujx n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujx s SER 93 N -0.88 1.37 -0.06 1.61 0.01 -1.26 -0.78 113.70 113.72 1ujx s SER 93 Ca 0.00 -0.68 0.04 0.00 1.31 0.00 0.00 55.95 56.62 1ujx s SER 93 Cb 0.00 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.23 1ujx s SER 93 CO 0.00 -0.19 -0.17 -0.76 0.41 0.00 0.00 173.24 172.53 1ujx s LEU 94 N -1.99 1.88 0.45 2.44 1.02 0.50 -4.92 118.68 118.06 1ujx s LEU 94 Ca -0.01 -0.37 0.07 0.00 0.02 0.00 0.00 54.13 53.84 1ujx s LEU 94 Cb -0.07 -1.01 0.02 0.00 0.02 0.00 0.00 46.19 45.15 1ujx s LEU 94 CO 0.01 0.13 0.62 -0.44 0.02 0.00 0.00 176.35 176.68 1ujx s SER 95 N 0.21 5.56 -0.48 2.29 0.01 -1.26 -1.02 113.70 119.01 1ujx s SER 95 Ca -0.08 -0.39 -0.27 0.00 1.31 0.00 0.00 55.95 56.52 1ujx s SER 95 Cb -0.13 -0.62 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 1ujx s SER 95 CO 0.03 -0.86 2.03 -0.76 0.41 0.00 0.00 173.24 174.10 1ujx s LEU 96 N -4.43 3.39 0.00 2.44 1.43 -1.26 -0.90 118.68 119.34 1ujx s LEU 96 Ca 0.56 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 1ujx s LEU 96 Cb -0.10 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.28 1ujx s LEU 96 CO 0.34 -2.33 0.00 0.61 0.23 0.00 0.00 176.35 175.20 1ujx n GLY 97 N 5.73 1.74 3.70 -3.19 0.00 -0.60 -5.01 105.19 107.56 1ujx n GLY 97 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 1ujx n GLY 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ujx s ASP 98 N -1.68 3.60 0.25 1.61 1.11 -0.08 -4.59 116.67 116.88 1ujx s ASP 98 Ca 0.00 2.29 0.07 0.00 0.18 0.00 0.00 52.55 55.09 1ujx s ASP 98 Cb 0.00 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 1ujx s ASP 98 CO 0.00 -2.66 0.16 -0.69 1.18 0.00 0.00 175.17 173.16 1ujx s VAL 99 N -2.28 4.28 -0.39 -1.27 1.01 -1.26 -1.96 120.40 118.53 1ujx s VAL 99 Ca 0.71 -1.46 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1ujx s VAL 99 Cb -0.27 -3.30 0.16 0.00 0.00 0.00 0.00 36.38 32.97 1ujx s VAL 99 CO 0.52 -0.33 0.31 -0.22 0.00 0.00 0.00 175.10 175.37 1ujx s LEU 100 N -3.75 1.06 -0.50 3.92 2.96 -1.00 -0.24 118.68 121.13 1ujx s LEU 100 Ca 0.32 -2.62 -0.26 0.00 -0.22 0.00 0.00 54.13 51.36 1ujx s LEU 100 Cb -0.08 -0.29 -0.07 0.00 0.50 0.00 0.00 46.19 46.26 1ujx s LEU 100 CO 0.24 -0.22 2.41 -0.31 -1.32 0.00 0.00 176.35 177.15 1ujx s TYR 101 N 0.54 1.07 0.16 5.38 2.02 -0.77 -2.56 117.35 123.19 1ujx s TYR 101 Ca 0.26 1.59 -0.24 0.00 -0.37 0.00 0.00 57.07 58.31 1ujx s TYR 101 Cb -0.07 -3.57 0.02 0.00 -0.40 0.00 0.00 41.96 37.94 1ujx s TYR 101 CO -0.11 -2.50 1.38 -0.11 -1.57 0.00 0.00 175.55 172.64 1ujx n LEU 102 N 16.02 -0.83 -3.82 -1.29 0.00 -0.82 -3.42 117.00 122.84 1ujx n LEU 102 Ca 0.37 1.58 -0.05 0.00 0.00 0.00 0.00 56.01 57.90 1ujx n LEU 102 Cb 0.55 -0.25 -0.01 0.00 0.00 0.00 0.00 43.42 43.71 1ujx n LEU 102 CO 0.71 -1.33 0.62 0.54 0.00 0.00 0.00 177.39 177.93 1ujx s VAL 103 N -5.57 0.00 -1.61 1.96 0.11 -1.24 -4.65 120.40 109.41 1ujx s VAL 103 Ca -0.11 -0.83 -0.19 0.00 -2.93 0.00 0.00 61.98 57.92 1ujx s VAL 103 Cb 0.12 -2.25 0.18 0.00 -1.53 0.00 0.00 36.38 32.89 1ujx s VAL 103 CO 0.58 0.00 0.61 -3.20 -3.33 0.00 0.00 175.10 169.76 1ujx n ASN 104 N -0.72 -2.50 -1.74 3.54 2.85 -1.26 0.15 115.26 115.58 1ujx n ASN 104 Ca -0.05 -0.93 -0.04 0.00 -0.11 0.00 0.00 54.58 53.44 1ujx n ASN 104 Cb 0.60 -2.11 -0.01 0.00 1.24 0.00 0.00 39.78 39.50 1ujx n ASN 104 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ujx n GLY 105 N -1.14 -0.01 0.48 8.20 0.00 -1.26 -4.84 105.19 106.62 1ujx n GLY 105 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 1ujx n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ujx n LEU 106 N -1.88 0.00 -4.00 0.99 4.77 0.40 -4.85 117.00 112.43 1ujx n LEU 106 Ca -0.05 -0.42 -0.43 0.00 -0.03 0.00 0.00 56.01 55.08 1ujx n LEU 106 Cb 0.32 0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.48 1ujx n LEU 106 CO 0.06 -0.07 -0.15 -1.22 -1.33 0.00 0.00 177.39 174.68 1ujx n TYR 107 N -0.19 -1.51 -2.47 -1.77 4.01 -1.26 -2.44 117.16 111.53 1ujx n TYR 107 Ca -0.03 0.16 -0.41 0.00 -0.16 0.00 0.00 57.90 57.46 1ujx n TYR 107 Cb 0.08 -2.90 -0.03 0.00 -0.31 0.00 0.00 39.34 36.18 1ujx n TYR 107 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ujx s PRO 108 N -7.08 4.51 -0.38 -0.72 0.04 -1.26 -1.95 135.00 128.16 1ujx s PRO 108 Ca 0.47 1.74 -0.04 0.00 0.04 0.00 0.00 61.00 63.21 1ujx s PRO 108 Cb -0.24 -3.31 0.09 0.00 0.04 0.00 0.00 34.50 31.07 1ujx s PRO 108 CO 0.95 -0.09 0.16 -0.51 0.04 0.00 0.00 177.00 177.56 1ujx s LEU 109 N 0.32 4.88 -0.01 -3.56 2.01 -1.06 -4.64 118.68 116.62 1ujx s LEU 109 Ca 0.54 -1.71 -0.30 0.00 0.01 0.00 0.00 54.13 52.67 1ujx s LEU 109 Cb -0.29 -1.84 -0.03 0.00 0.01 0.00 0.00 46.19 44.04 1ujx s LEU 109 CO 0.32 -0.47 1.06 -0.89 1.01 0.00 0.00 176.35 177.38 1ujx s THR 110 N 1.24 4.61 0.18 5.49 2.01 -1.25 -2.38 115.64 125.54 1ujx s THR 110 Ca 0.04 1.88 -0.30 0.00 0.31 0.00 0.00 61.69 63.61 1ujx s THR 110 Cb -0.22 -4.20 -0.08 0.00 0.01 0.00 0.00 72.50 68.01 1ujx s THR 110 CO -0.02 0.11 0.99 -0.22 -0.69 0.00 0.00 174.62 174.79 1ujx s LEU 111 N 1.32 4.56 0.32 4.42 2.96 -0.83 0.06 118.68 131.50 1ujx s LEU 111 Ca 0.53 1.94 0.04 0.00 -0.22 0.00 0.00 54.13 56.42 1ujx s LEU 111 Cb -0.23 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.83 1ujx s LEU 111 CO 0.26 -0.02 0.17 -0.13 -1.32 0.00 0.00 176.35 175.31 1ujx s ARG 112 N -0.60 1.67 -0.13 1.98 1.81 0.69 -1.55 118.95 122.82 1ujx s ARG 112 Ca 0.45 -1.97 -0.06 0.00 -1.72 0.00 0.00 55.73 52.43 1ujx s ARG 112 Cb -0.26 -0.14 0.05 0.00 -0.45 0.00 0.00 34.95 34.15 1ujx s ARG 112 CO 0.32 -0.48 0.30 -0.46 -0.68 0.00 0.00 175.30 174.30 1ujx s TRP 113 N -3.52 -0.43 0.63 -0.53 -0.11 -1.26 -2.62 118.94 111.10 1ujx s TRP 113 Ca 0.34 0.97 -0.15 0.00 1.22 0.00 0.00 56.10 58.48 1ujx s TRP 113 Cb 0.04 0.10 -0.02 0.00 -1.50 0.00 0.00 33.47 32.10 1ujx s TRP 113 CO 0.18 -0.29 1.08 0.45 -4.62 0.00 0.00 176.95 173.75 1ujx s SER 114 N 1.53 5.44 0.18 5.86 0.15 -0.35 -4.91 113.70 121.61 1ujx s SER 114 Ca -0.07 1.88 -0.24 0.00 0.70 0.00 0.00 55.95 58.22 1ujx s SER 114 Cb -0.10 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.72 1ujx s SER 114 CO -0.10 -1.40 0.82 -0.83 1.20 0.00 0.00 173.24 172.93 1ujx s GLY 115 N -2.79 -0.26 0.34 9.45 0.00 -1.26 -4.17 107.32 108.63 1ujx s GLY 115 Ca 0.64 0.12 -0.27 0.00 0.00 0.00 0.00 44.72 45.22 1ujx s GLY 115 CO 0.40 0.03 1.07 2.56 0.00 0.00 0.00 173.10 177.16 1ujx s PRO 116 N -3.55 4.39 0.00 2.90 0.04 -1.26 -4.17 135.00 133.35 1ujx s PRO 116 Ca 0.09 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1ujx s PRO 116 Cb -0.03 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.67 1ujx s PRO 116 CO 0.01 0.03 0.00 0.43 0.04 0.00 0.00 177.00 177.51 1ujx n SER 117 N 0.52 0.00 -1.85 6.66 7.64 -1.26 -4.67 113.62 120.66 1ujx n SER 117 Ca 0.02 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.89 1ujx n SER 117 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1ujx n SER 117 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ujx n SER 118 N 2.45 -3.63 0.00 6.43 2.88 -1.26 -5.28 113.62 115.21 1ujx n SER 118 Ca 0.00 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1ujx n SER 118 Cb 0.00 -2.19 0.00 0.00 -0.75 0.00 0.00 64.21 61.27 1ujx n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42